(2-Isopropyl-1h-benzimidazol-1-yl)acetic acid

Base Information

• Chemical Name: (2-Isopropyl-1h-benzimidazol-1-yl)acetic acid
• CAS No.: 797812-91-0
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80360073
• Wikidata: Q82141610
• Mol file: 797812-91-0.mol

Synonyms:797812-91-0;(2-isopropyl-1h-benzimidazol-1-yl)acetic acid;2-(2-Isopropyl-1H-benzo[d]imidazol-1-yl)acetic acid;2-(2-propan-2-ylbenzimidazol-1-yl)acetic acid;2-[2-(propan-2-yl)-1h-1,3-benzodiazol-1-yl]acetic acid;[2-(propan-2-yl)-1H-benzimidazol-1-yl]acetic acid;BAS 04376962;SCHEMBL13844054;DTXSID80360073;VROCWDFNBDMZGW-UHFFFAOYSA-N;MFCD05239272;NSC803168;STL225176;AKOS000300678;NSC-803168;LS-04774;BB 0257068;CS-0314540;FT-0678459;EN300-7367140;Z327567934

Chemical Property of (2-Isopropyl-1h-benzimidazol-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 6.44E-08mmHg at 25°C
• Boiling Point: 423.2°C at 760 mmHg
• Flash Point: 209.7°C
• PSA: 55.12000
• Density: 1.23g/cm³
• LogP: 2.24430
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

97% ^*data from raw suppliers

(2-isopropyl-1H-benzimidazol-1-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC2=CC=CC=C2N1CC(=O)O

Technology Process of (2-Isopropyl-1h-benzimidazol-1-yl)acetic acid

There total 3 articles about (2-Isopropyl-1h-benzimidazol-1-yl)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

methyl 2‐(2‐isopropyl‐1H‐benzo[d]imidazol‐1‐yl)acetate → 2‐(2‐isopropyl‐1H‐benzo[d]imidazol‐1‐yl)acetic acid (797812-91-0)

Guidance literature:

With potassium carbonate; In methanol; water; Reflux;

DOI:10.3390/molecules25040770

Reference yield:

2-isopropylbenzimidazole (5851-43-4) + potassium chloroacetate (7748-25-6) → 2‐(2‐isopropyl‐1H‐benzo[d]imidazol‐1‐yl)acetic acid (797812-91-0)

Guidance literature:

In ethanol; water; Reflux;

Reference yield:

2-isopropylbenzimidazole (5851-43-4) → 2‐(2‐isopropyl‐1H‐benzo[d]imidazol‐1‐yl)acetic acid (797812-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 0.5 h

1.2: 8 h / Reflux

2.1: potassium carbonate / methanol; water / Reflux

With potassium carbonate; In methanol; water; acetone;

DOI:10.3390/molecules25040770

upstream raw materials:

2-isopropylbenzimidazole

potassium chloroacetate

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